4-(4-Bromo-3,5-dimethylphenyl)butan-2-one

HCID 86697199

Notes Reactions

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Basic information

Standard SMILES: CC(=O)CCc1cc(C)c(Br)c(C)c1
InChIKey: OFDVNWLRZRXLTD-UHFFFAOYSA-N
Molecular formula: C12H15BrO
Average molar mass: 255.15 g/mol

Names & identifiers

Preferred name: 4-(4-Bromo-3,5-dimethylphenyl)butan-2-one
IUPAC: 4-(4-bromo-3,5-dimethylphenyl)butan-2-one

Names & synonyms

4-(4-Bromo-3,5-dimethylphenyl)butan-2-one1458654-31-3SCHEMBL15262494OFDVNWLRZRXLTD-UHFFFAOYSA-N4-(4-bromo-3,5-dimethylphenyl)-butan-2-oneEN300-1924260

Database identifiers

PubChem CID: 86697199

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 190

Related reactions

2 records

New reaction record

HRID 237536As productuspto-grants-2014_02

HRID 237537As reactantuspto-grants-2014_02

Compound notes

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